Geometry & MOs

Info

ID:

312027

PubChem CID:

126601970

Reduced:

NF2O5C36H37 (1)

Stoich.:

AB2C5D36E37 (1)

Weight, g/mol:

505.14639

ΔHf, kcal/mol:

-255.11

Dipole, Da:

4.52

IP(EA), eV:

 -8.65(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[5-bromo-4-(3,4-dihydro-2H-chromen-6-yl)-2-(hydroxymethyl)-6-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)[C@@H](C(=O)O)OC(C)(C)C)C2=CC3=C(C=C2)OCCC3)C4=CC=C(C=C4)OCCC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations